Electronic Structure and Band Gap Modulation of Ba–S Compounds via Tuned Hybrid Functional Calculations
Open Access
- 1 January 2026
- journal article
- Published by Royal Society of Chemistry (RSC) in Materials Advances
- Vol. 7 (14) , 7271-7281
Abstract
This work presents a combined theoretical and experimental investigation of optimized crystal structural and electronic properties of Ba-S compounds (BaS, BaS₂, BaS₃). Films were synthesized via e-beam evaporation followed by...Keywords
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